[(2S)-2-azanyl-3-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl] benzoate

Systemtic Name: [(2S)-2-azanyl-3-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-methyl-3-oxidanylidene-propyl] benzoate Openeye Name: [(2S)-2-amino-3-[[(1S)-1-benzyl-2-(cyclohexylamino)-2-oxo-ethyl]amino]-2-methyl-3-oxo-propyl] benzoate CAS Name: benzoic acid [(2S)-2-amino-3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropyl] ester IUPAC Name: [(2S)-2-amino-3-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-methyl-3-oxopropyl] benzoate Traditional Name: benzoic acid [(2S)-2-amino-3-[[(1S)-1-benzyl-2-(cyclohexylamino)-2-keto-ethyl]amino]-3-keto-2-methyl-propyl] ester Formula: C26H33N3O4 MolecularWeight: 451.55792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1)(C(=O)NC(CC2=CC=CC=C2)C(=O)NC3CCCCC3)N

Isomeric SMILES

C[C@](COC(=O)C1=CC=CC=C1)(C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)N

InChI

InChI=1S/C26H33N3O4/c1-26(27,18-33-24(31)20-13-7-3-8-14-20)25(32)29-22(17-19-11-5-2-6-12-19)23(30)28-21-15-9-4-10-16-21/h2-3,5-8,11-14,21-22H,4,9-10,15-18,27H2,1H3,(H,28,30)(H,29,32)/t22-,26-/m0/s1